1,3-benzoxazol-2-ylmethyl 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H21N3O3/c1-14-8-10-17(11-9-14)12-25-16(3)21(15(2)24-25)22(26)27-13-20-23-18-6-4-5-7-19(18)28-20/h4-11H,12-13H2,1-3H3